6-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H16ClN3O4S/c1-2-7-25-20(28)14-9-13(22)4-5-15(14)24-21(25)30-11-17(26)12-3-6-18-16(8-12)23-19(27)10-29-18/h2-6,8-9H,1,7,10-11H2,(H,23,27)